4-[[5-chloro-2-(3-methylbutoxy)phenyl]methyl]morpholine;hydrochloride

C16H25Cl2NO2 — CID 6603197

IUPAC4-[[5-chloro-2-(3-methylbutoxy)phenyl]methyl]morpholine;hydrochloride
SMILESCC(C)CCOc1ccc(Cl)cc1CN1CCOCC1.Cl
InChIInChI=1S/C16H24ClNO2.ClH/c1-13(2)5-8-20-16-4-3-15(17)11-14(16)12-18-6-9-19-10-7-18;/h3-4,11,13H,5-10,12H2,1-2H3;1H
InChIKeyXCPFBISTUMTZNZ-UHFFFAOYSA-N
MW334.29 g/mol
LogP4.02
Rot. Bonds6

About 4-[[5-chloro-2-(3-methylbutoxy)phenyl]methyl]morpholine;hydrochloride

4-[[5-chloro-2-(3-methylbutoxy)phenyl]methyl]morpholine;hydrochloride (PubChem CID 6603197) has the molecular formula C16H25Cl2NO2 and a molecular weight of 334.29 g/mol. Its IUPAC name is 4-[[5-chloro-2-(3-methylbutoxy)phenyl]methyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[[5-chloro-2-(3-methylbutoxy)phenyl]methyl]morpholine;hydrochloride
PubChem CID6603197
Molecular FormulaC16H25Cl2NO2
Molecular Weight334.29 g/mol
Exact Mass333.13
IUPAC Name4-[[5-chloro-2-(3-methylbutoxy)phenyl]methyl]morpholine;hydrochloride
SMILESCC(C)CCOc1ccc(Cl)cc1CN1CCOCC1.Cl
InChIInChI=1S/C16H24ClNO2.ClH/c1-13(2)5-8-20-16-4-3-15(17)11-14(16)12-18-6-9-19-10-7-18;/h3-4,11,13H,5-10,12H2,1-2H3;1H
InChIKeyXCPFBISTUMTZNZ-UHFFFAOYSA-N
XLogP4.02
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.29
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-chloro-2-(3-methylbutoxy)phenyl]methyl]morpholine;hydrochloride?
The IUPAC name of 4-[[5-chloro-2-(3-methylbutoxy)phenyl]methyl]morpholine;hydrochloride (CID 6603197) is 4-[[5-chloro-2-(3-methylbutoxy)phenyl]methyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[[5-chloro-2-(3-methylbutoxy)phenyl]methyl]morpholine;hydrochloride?
The canonical SMILES for 4-[[5-chloro-2-(3-methylbutoxy)phenyl]methyl]morpholine;hydrochloride is CC(C)CCOc1ccc(Cl)cc1CN1CCOCC1.Cl.
What is the InChIKey of 4-[[5-chloro-2-(3-methylbutoxy)phenyl]methyl]morpholine;hydrochloride?
The InChIKey is XCPFBISTUMTZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2.ClH/c1-13(2)5-8-20-16-4-3-15(17)11-14(16)12-18-6-9-19-10-7-18;/h3-4,11,13H,5-10,12H2,1-2H3;1H.
What are the key properties of 4-[[5-chloro-2-(3-methylbutoxy)phenyl]methyl]morpholine;hydrochloride?
4-[[5-chloro-2-(3-methylbutoxy)phenyl]methyl]morpholine;hydrochloride has a molecular weight of 334.29 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-chloro-2-(3-methylbutoxy)phenyl]methyl]morpholine;hydrochloride is sourced from PubChem (CID 6603197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).